[2-(2-methoxyethylamino)-2-oxoethyl] (E)-3-thiophen-3-ylprop-2-enoate

C12H15NO4S — CID 7549949

IUPAC[2-(2-methoxyethylamino)-2-oxoethyl] (E)-3-thiophen-3-ylprop-2-enoate
SMILESCOCCNC(=O)COC(=O)/C=C/c1ccsc1
InChIInChI=1S/C12H15NO4S/c1-16-6-5-13-11(14)8-17-12(15)3-2-10-4-7-18-9-10/h2-4,7,9H,5-6,8H2,1H3,(H,13,14)/b3-2+
InChIKeyNLXNGTLAAPPNGH-NSCUHMNNSA-N
MW269.32 g/mol
LogP1.07
Rot. Bonds7

About [2-(2-methoxyethylamino)-2-oxoethyl] (E)-3-thiophen-3-ylprop-2-enoate

[2-(2-methoxyethylamino)-2-oxoethyl] (E)-3-thiophen-3-ylprop-2-enoate (PubChem CID 7549949) has the molecular formula C12H15NO4S and a molecular weight of 269.32 g/mol. Its IUPAC name is [2-(2-methoxyethylamino)-2-oxoethyl] (E)-3-thiophen-3-ylprop-2-enoate.

Molecular Properties

Compound Name[2-(2-methoxyethylamino)-2-oxoethyl] (E)-3-thiophen-3-ylprop-2-enoate
PubChem CID7549949
Molecular FormulaC12H15NO4S
Molecular Weight269.32 g/mol
Exact Mass269.07
IUPAC Name[2-(2-methoxyethylamino)-2-oxoethyl] (E)-3-thiophen-3-ylprop-2-enoate
SMILESCOCCNC(=O)COC(=O)/C=C/c1ccsc1
InChIInChI=1S/C12H15NO4S/c1-16-6-5-13-11(14)8-17-12(15)3-2-10-4-7-18-9-10/h2-4,7,9H,5-6,8H2,1H3,(H,13,14)/b3-2+
InChIKeyNLXNGTLAAPPNGH-NSCUHMNNSA-N
XLogP1.07
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

[2-(2-methoxyethylamino)-2-oxoethyl] (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 2509557
[2-oxo-2-(3-phenylpropylamino)ethyl] (E)-3-thiophen-3-ylprop-2-enoate
CID 8567357
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] (E)-3-thiophen-3-ylprop-2-enoate
CID 7549866
[2-(2-methoxyethylamino)-2-oxoethyl] 3-(3-methoxyphenyl)prop-2-enoate
CID 71823245
methyl (Z)-3-thiophen-3-ylprop-2-enoate
CID 35026955
[2-(2-methoxyethylamino)-2-oxoethyl] (E)-3-(4-phenylmethoxyphenyl)prop-2-enoate
CID 35792906
[2-(3-acetamidoanilino)-2-oxoethyl] (E)-3-thiophen-3-ylprop-2-enoate
CID 7549957
[2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl] (E)-3-thiophen-3-ylprop-2-enoate
CID 8567295
[2-(2,6-difluoroanilino)-2-oxoethyl] (E)-3-thiophen-3-ylprop-2-enoate
CID 8567306
(E)-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-3-thiophen-3-ylprop-2-enamide
CID 51095004
[2-(2-fluoroanilino)-2-oxoethyl] (E)-3-thiophen-3-ylprop-2-enoate
CID 7549850
[2-(cyclopropylcarbamoylamino)-2-oxoethyl] (E)-3-thiophen-3-ylprop-2-enoate
CID 8568538

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxyethylamino)-2-oxoethyl] (E)-3-thiophen-3-ylprop-2-enoate?
The IUPAC name of [2-(2-methoxyethylamino)-2-oxoethyl] (E)-3-thiophen-3-ylprop-2-enoate (CID 7549949) is [2-(2-methoxyethylamino)-2-oxoethyl] (E)-3-thiophen-3-ylprop-2-enoate.
What is the SMILES notation for [2-(2-methoxyethylamino)-2-oxoethyl] (E)-3-thiophen-3-ylprop-2-enoate?
The canonical SMILES for [2-(2-methoxyethylamino)-2-oxoethyl] (E)-3-thiophen-3-ylprop-2-enoate is COCCNC(=O)COC(=O)/C=C/c1ccsc1.
What is the InChIKey of [2-(2-methoxyethylamino)-2-oxoethyl] (E)-3-thiophen-3-ylprop-2-enoate?
The InChIKey is NLXNGTLAAPPNGH-NSCUHMNNSA-N. The full InChI is InChI=1S/C12H15NO4S/c1-16-6-5-13-11(14)8-17-12(15)3-2-10-4-7-18-9-10/h2-4,7,9H,5-6,8H2,1H3,(H,13,14)/b3-2+.
What are the key properties of [2-(2-methoxyethylamino)-2-oxoethyl] (E)-3-thiophen-3-ylprop-2-enoate?
[2-(2-methoxyethylamino)-2-oxoethyl] (E)-3-thiophen-3-ylprop-2-enoate has a molecular weight of 269.32 g/mol, XLogP of 1.07, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxyethylamino)-2-oxoethyl] (E)-3-thiophen-3-ylprop-2-enoate is sourced from PubChem (CID 7549949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).